Bis(?-2-fluoro-benzoato-1:2?O:O')(2-fluoro-benzoato-1?O,O')(2-fluoro-benzoato-2?O)dinicotinamide-1?N,2?N-dizinc(II)-2-fluoro-benzoic acid (1/1).

ABSTRACT: The asymmetric unit of the title compound, [Zn(2)(C(7)H(4)FO(2))(4)(C(6)H(6)N(2)O)(2)]·C(7)H(5)FO(2), consists of a binuclear Zn(II) complex bridged by two carboxyl groups of 2-fluoro-benzoate (FB) anions and a 2-fluoro-benzoic acid mol-ecule. The two bridging FB anions, one chelating FB anion and one nicotinamide (NA) ligand coordinate to one Zn cation with a distorted square-pyramidal geometry, while the two bridging FB anions, one monodentate FB anion and one NA ligand coordinate to the other Zn cation with a distorted tetra-hedral geometry. Within the binuclear mol-ecule, the pyridine rings are oriented at a dihedral angle of 19.41?(14)°. In the crystal structure, the uncoordinated 2-fluorobenzoic acid mol-ecules are linked by O-H?O hydrogen bonding, forming centrosymmetric supra-molecular dimers. Inter-molecular N-H?O hydrogen bonds link the complex mol-ecules into a three-dimensional network. The ?-? contacts between nearly parallel pyridine and benzene rings [dihedral angles of 19.41?(14) and 12.72?(16)°, respectively, centroid-centroid distances = 3.701?(2) and 3.857?(3)?Å] may further stabilize the crystal structure. The fluorine atoms in two FB ligands are disordered over two positions, with occupancy ratios of 0.70:0.30.

SUBMITTER: Hokelek T 

PROVIDER: S-EPMC2971791 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature